Molecule

ID:54019

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClF₃NO₃
Molecular Mass
283.6315696
Exact Mass
283.02230549
Charge
0
InChI
InChI=1S/C10H9ClF3NO3/c1-2-17-8(16)5-18-9-7(11)3-6(4-15-9)10(12,13)14/h3-4H,2,5H2,1H3
InChIKey
JQKLNJHDHJXZOA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COc1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(cnc(c(c1)Cl)OCC(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6549368
LogD (pH = 7.4)
2.6549382
Log P
2.6549382
Molar Refractivity
57.0586
Polarizability
21.66503
Polar Surface Area
48.42
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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